CID 6321362

Glcceramide

Structural Information

Molecular Formula
C50H95NO8
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C50H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,43-45,47-50,52-53,55-57H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)/b18-17-,39-37+/t43-,44+,45+,47+,48?,49?,50+/m0/s1
InChIKey
LVROXDRMMJVBGH-LZGCSZFKSA-N
Compound name
(Z)-N-[(E,2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexacos-17-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1033
References

0
Patents

837.70575 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 838.713026 305.1
[M+Na]+ 860.694968 306.0
[M-H]- 836.698474 293.4
[M+NH4]+ 855.739573 301.1
[M+K]+ 876.668908 310.6
[M+H-H2O]+ 820.703010 301.6
[M+HCOO]- 882.703951 303.8
[M+CH3COO]- 896.719601 303.2
[M+Na-2H]- 858.680416 280.5
[M]+ 837.70520142 298.9
[M]- 837.70629858 298.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.